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3-{5-[(E)-(1-(2,3-dichlorophenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2-furyl}benzoic acid
SpectraBase Compound ID 9g7XDr5WLy
InChI InChI=1S/C22H12Cl2N2O6/c23-15-5-2-6-16(18(15)24)26-20(28)14(19(27)25-22(26)31)10-13-7-8-17(32-13)11-3-1-4-12(9-11)21(29)30/h1-10H,(H,29,30)(H,25,27,31)/b14-10+
InChIKey LJANPLWACDDTLM-GXDHUFHOSA-N
Mol Weight 471.25 g/mol
Molecular Formula C22H12Cl2N2O6
Exact Mass 470.007242 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EAec1Tu467l
Name 3-{5-[(E)-(1-(2,3-dichlorophenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2-furyl}benzoic acid
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C22H12Cl2N2O6/c23-15-5-2-6-16(18(15)24)26-20(28)14(19(27)25-22(26)31)10-13-7-8-17(32-13)11-3-1-4-12(9-11)21(29)30/h1-10H,(H,29,30)(H,25,27,31)/b14-10+
InChIKey LJANPLWACDDTLM-GXDHUFHOSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_8371
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: D36184; Labnumber: SPDEM5-38199; SBI_ID: SBI-008374
Synonyms 3-{5-[(1-(2,3-dichlorophenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2-furyl}benzoic acid
Temperature 318 °C